N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-4-(3-methylphenyl)carbonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-4-(3-methylphenyl)carbonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-(3-methylbenzoyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-tert-butylphenyl)-oxomethyl]-4-[(3-methylphenyl)-oxomethyl]-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-(3-methylbenzoyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-m-toluoyl-piperazine-2-carboxamide Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NCCN)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NCCN)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H34N4O3/c1-18-6-5-7-20(16-18)24(32)29-14-15-30(22(17-29)23(31)28-13-12-27)25(33)19-8-10-21(11-9-19)26(2,3)4/h5-11,16,22H,12-15,17,27H2,1-4H3,(H,28,31)